2-[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-[(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-(4-fluorobenzyl)piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O/c1-16-3-2-4-19(13-16)22-20(25)15-24-11-9-23(10-12-24)14-17-5-7-18(21)8-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)/p+1